N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide

C24H19FN4O — CID 53078308

IUPACN-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H19FN4O/c25-20-8-4-7-19(15-20)23-26-14-13-22(29-23)28-21-11-9-18(10-12-21)24(30)27-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,30)(H,26,28,29)
InChIKeyGUVGHKJWBKIRJA-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.96
Rot. Bonds6

About N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide

N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078308) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078308
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H19FN4O/c25-20-8-4-7-19(15-20)23-26-14-13-22(29-23)28-21-11-9-18(10-12-21)24(30)27-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,30)(H,26,28,29)
InChIKeyGUVGHKJWBKIRJA-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53078315
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
N-[(2-chlorophenyl)methyl]-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078306
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
N-cyclohexyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 53006992
3-[(2-phenylpyrimidin-4-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46331407
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 53006991
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide (CID 53078308) is N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide is O=C(NCc1ccccc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is GUVGHKJWBKIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c25-20-8-4-7-19(15-20)23-26-14-13-22(29-23)28-21-11-9-18(10-12-21)24(30)27-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,30)(H,26,28,29).
What are the key properties of N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 398.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).